Geometry & MOs

Info

ID:

15925

PubChem CID:

455294

Reduced:

O11C34H38 (1)

Stoich.:

A11B34C38 (1)

Weight, g/mol:

622.241412

ΔHf, kcal/mol:

-442.2

Dipole, Da:

7.6

IP(EA), eV:

 -9.43(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(9S,10R)-8,8-dimethyl-2-oxo-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-9,10-dihydropyrano[2,3-f]chromen-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

Drug info:

PubChemData

Smile

CC1([C@H]([C@@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)OC(=O)C45CCC(C4(C)C)(C(=O)O5)C)OC(=O)C67CCC(C6(C)C)(C(=O)O7)C)C

DOS

IR

Vibrations